2,4,5-trimethyl-1H-pyridazine-3,6-dione

C7H10N2O2 — CID 19698464

IUPAC2,4,5-trimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(C)[nH]c1=O
InChIInChI=1S/C7H10N2O2/c1-4-5(2)7(11)9(3)8-6(4)10/h1-3H3,(H,8,10)
InChIKeyVRAKBESXTMYLCA-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.31
Rot. Bonds

About 2,4,5-trimethyl-1H-pyridazine-3,6-dione

2,4,5-trimethyl-1H-pyridazine-3,6-dione (PubChem CID 19698464) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,4,5-trimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2,4,5-trimethyl-1H-pyridazine-3,6-dione
PubChem CID19698464
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2,4,5-trimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(C)[nH]c1=O
InChIInChI=1S/C7H10N2O2/c1-4-5(2)7(11)9(3)8-6(4)10/h1-3H3,(H,8,10)
InChIKeyVRAKBESXTMYLCA-UHFFFAOYSA-N
XLogP-0.31
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2,4,5-trimethyl-1H-pyridazine-3,6-dione (CID 19698464) is 2,4,5-trimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2,4,5-trimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2,4,5-trimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(C)[nH]c1=O.
What is the InChIKey of 2,4,5-trimethyl-1H-pyridazine-3,6-dione?
The InChIKey is VRAKBESXTMYLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-5(2)7(11)9(3)8-6(4)10/h1-3H3,(H,8,10).
What are the key properties of 2,4,5-trimethyl-1H-pyridazine-3,6-dione?
2,4,5-trimethyl-1H-pyridazine-3,6-dione has a molecular weight of 154.17 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 19698464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).